Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-
TL;DR: Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- (CAS 74729-50-3) is a chemical compound with molecular formula C12H14ClN3O4 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-phenylpropanoic acid
Also Known As: ALANINE, N-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)-3-PHENYL-, N-(3-(2-Chloroethyl)-3-nitrosoureido)-3-phenylalanine, N-[(2-Chloroethyl)nitrosocarbamoyl]-L-phenylalanine, N-[(2-Chloroethyl)(nitroso)carbamoyl]-L-phenylalanine, (2S)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]-3-phenyl-propanoic acid
| Molecular Formula | C12H14ClN3O4 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 1.6141 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.0673 |
| Heavy Atoms | 20 |
| Complexity | 469.03006 |
Chemical Identifiers
| CAS Number | 74729-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)N(CCCl)N=O |
Product Overview
Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- (CAS 74729-50-3), with molecular formula C12H14ClN3O4 and molecular weight 299.07 g/mol. IUPAC: (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-
Property Insights of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-
The XLogP value of 1.6141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-. Following Lipinski's Rule of Five, Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-?
The CAS number of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- is 74729-50-3.
What is the molecular formula of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-?
The molecular formula of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- is C12H14ClN3O4.
What is the molecular weight of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-?
The molecular weight of Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- is 299.07 g/mol.
Where can I buy Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-?
You can request a quote for Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.